Basic information
- Standard SMILES
CCOC(=O)N=C1SC(CBr)CN1c1cccc(C(F)(F)F)c1- InChIKey
ACAOPXFYCGQCCD-UHFFFAOYSA-N- Molecular formula
- C14H14BrF3N2O2S
- Average molar mass
- 411.24 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonylimino-3-(3-trifluoromethylphenyl)-5-bromomethylthiazolidine
- IUPAC
- ethyl N-[5-(bromomethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate
Names & synonyms
2-ethoxycarbonylimino-3-(3-trifluoromethylphenyl)-5-bromomethylthiazolidineSCHEMBL9064489SCHEMBL90644932-ethoxycarbonylimino-3-(3-tri-fluoromethylphenyl)-5-bromomethylthiazolidine
Database identifiers
- PubChem CID
- 53634945
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Related reactions
7 records
Compound notes
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